S-Methyl hexanethioate
TL;DR: S-Methyl hexanethioate (CAS 2432-77-1) is a chemical compound with molecular formula C7H14OS and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl hexanethioate
Also Known As: S-Methyl hexanethioate, S-Methyl thiohexanoate, Methanethiol caproate, methyl thiohexanoate, methylhexanethioate
| Molecular Formula | C7H14OS |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.07654 |
| Heavy Atoms | 9 |
| Complexity | 81.0 |
| Boiling Point | 120.00 to 122.00 °C. @ 0.00 mm Hg |
| Density | 0.829-0.834 |
| Solubility | soluble in oil and alcohol |
| Refractive Index | 1.477-1.482 |
Chemical Identifiers
| CAS Number | 2432-77-1 |
|---|---|
| SMILES | CCCCCC(=O)SC |
| InChIKey | AKGAHYLJHAOPKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Methyl hexanethioate (CAS 2432-77-1), with molecular formula C7H14OS and molecular weight 146.08 g/mol. IUPAC: S-methyl hexanethioate.
Chemical Property Profile of S-Methyl hexanethioate
Property Insights of S-Methyl hexanethioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl hexanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-Methyl hexanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl hexanethioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Methyl hexanethioate?
The CAS number of S-Methyl hexanethioate is 2432-77-1.
What is the molecular formula of S-Methyl hexanethioate?
The molecular formula of S-Methyl hexanethioate is C7H14OS.
What is the molecular weight of S-Methyl hexanethioate?
The molecular weight of S-Methyl hexanethioate is 146.08 g/mol.
Where can I buy S-Methyl hexanethioate?
You can request a quote for S-Methyl hexanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl hexanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl hexanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.